N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide

C11H17N3O2 — CID 115696898

IUPACN-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1cnccc1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)3-6-13-10(15)7-14-8-12-5-4-11(14)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyVCZRQHPTJRGFOL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds5

About N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 115696898) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID115696898
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1cnccc1=O
InChIInChI=1S/C11H17N3O2/c1-9(2)3-6-13-10(15)7-14-8-12-5-4-11(14)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyVCZRQHPTJRGFOL-UHFFFAOYSA-N
XLogP0.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 115696898) is N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide is CC(C)CCNC(=O)Cn1cnccc1=O.
What is the InChIKey of N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is VCZRQHPTJRGFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9(2)3-6-13-10(15)7-14-8-12-5-4-11(14)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115696898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).